CID 5311

Vorinostat

Structural Information

Molecular Formula
C14H20N2O3
SMILES
C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO
InChI
InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
InChIKey
WAEXFXRVDQXREF-UHFFFAOYSA-N
Compound name
N'-hydroxy-N-phenyloctanediamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

3084
References

65052
Patents

264.1474 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 162.8
[M+Na]+ 287.136618 165.8
[M-H]- 263.140124 164.0
[M+NH4]+ 282.181223 177.6
[M+K]+ 303.110558 163.2
[M+H-H2O]+ 247.144660 155.2
[M+HCOO]- 309.145601 185.3
[M+CH3COO]- 323.161251 198.6
[M+Na-2H]- 285.122066 166.0
[M]+ 264.14685142 162.5
[M]- 264.14794858 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe